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(S) -2-Phenylpyrrolidine

CAT: 0127-OR932248-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR932248-01Size:100 mg
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CAS Number
59347-91-0
MDL Number
MFCD06762549
Purity
97%
Smiles
C1CN[C@@H](C1)c2ccccc2

Chemical Information

(S)-2-Phenylpyrrolidine
CAS Number59347-91-0
PubChem CID1520808
IUPAC Name(2S)-2-phenylpyrrolidine
Molecular FormulaC10H13N
Molecular Weight147.22
XLogP1.8
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
C1C[C@H](NC1)C2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2/t10-/m0/s1
InChIKey
JUTDHSGANMHVIC-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (S)-2-Phenylpyrrolidine
CAS: 59347-91-0
CID: 1520808
Formula: C10H13N
MW: 147.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight147.22
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass147.104799419
Monoisotopic Mass147.104799419
Topological Polar Surface Area12 Ų
Heavy Atom Count11
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes